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(2S,1'R,4'S)-TRICARBONYL-[1'-4'-ETA-(1'E,3'E)-1-PARA-METHOXYPHENYL-2-(1',3'-PENTADIENYL)-PIPERIDIN-4-ONE]-IRON
SpectraBase Compound ID Ibncjy0j4qr
InChI InChI=1S/C17H17NO2.3CO.Fe/c1-3-4-5-6-15-13-16(19)11-12-18(15)14-7-9-17(20-2)10-8-14;3*1-2;/h7-10,15H,11-13H2,1-2H3;;;;/t15-;;;;/m1..../s1
InChIKey DNTIUYUEJIAPDV-FKOXPEIHSA-N
Mol Weight 407.2 g/mol
Molecular Formula C20H17FeNO5
Exact Mass 407.045609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GYA7082ehzL
Name (2S,1'R,4'S)-TRICARBONYL-[1'-4'-ETA-(1'E,3'E)-1-PARA-METHOXYPHENYL-2-(1',3'-PENTADIENYL)-PIPERIDIN-4-ONE]-IRON
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17FeNO5
InChI InChI=1S/C17H17NO2.3CO.Fe/c1-3-4-5-6-15-13-16(19)11-12-18(15)14-7-9-17(20-2)10-8-14;3*1-2;/h7-10,15H,11-13H2,1-2H3;;;;/t15-;;;;/m1..../s1
InChIKey DNTIUYUEJIAPDV-FKOXPEIHSA-N
Literature Reference Author Y.TAKEMOTO,S.UEDA,J.TAKEUCHI,Y.BABA,C.IWATA
Literature Reference Citation CHEM.PHARM.BULL.,45,1906(1997)
Literature Reference DOI 10.1248/cpb.45.1906
Molecular Weight 407.206 g/mol
Solvent CDCl3
Source File Reference UWVN28944